4-[(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)methoxy]aniline

C14H12N4O2 — CID 61036474

IUPAC4-[(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)methoxy]aniline
SMILESNc1ccc(OCc2nc(-c3ccccn3)no2)cc1
InChIInChI=1S/C14H12N4O2/c15-10-4-6-11(7-5-10)19-9-13-17-14(18-20-13)12-3-1-2-8-16-12/h1-8H,9,15H2
InChIKeyITCVODUKQSOYFE-UHFFFAOYSA-N
MW268.28 g/mol
LogP2.29
Rot. Bonds4

About 4-[(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)methoxy]aniline

4-[(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)methoxy]aniline (PubChem CID 61036474) has the molecular formula C14H12N4O2 and a molecular weight of 268.28 g/mol. Its IUPAC name is 4-[(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)methoxy]aniline.

Molecular Properties

Compound Name4-[(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)methoxy]aniline
PubChem CID61036474
Molecular FormulaC14H12N4O2
Molecular Weight268.28 g/mol
Exact Mass268.10
IUPAC Name4-[(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)methoxy]aniline
SMILESNc1ccc(OCc2nc(-c3ccccn3)no2)cc1
InChIInChI=1S/C14H12N4O2/c15-10-4-6-11(7-5-10)19-9-13-17-14(18-20-13)12-3-1-2-8-16-12/h1-8H,9,15H2
InChIKeyITCVODUKQSOYFE-UHFFFAOYSA-N
XLogP2.29
TPSA87.06 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.28
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

5-(phenoxymethyl)-3-pyridin-2-yl-1,2,4-oxadiazole
CID 880364
4-[[3-(6-methyl-2-pyridinyl)-1,2,4-oxadiazol-5-yl]methoxy]aniline
CID 63770811
5-[(2,6-dichlorophenoxy)methyl]-3-pyridin-2-yl-1,2,4-oxadiazole
CID 56901585
4-[(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)methoxy]aniline
CID 54908982
5-[(2,5-dimethylphenoxy)methyl]-3-pyridin-2-yl-1,2,4-oxadiazole
CID 845257
5-[4-[(2-chlorophenyl)methoxy]phenyl]-3-pyridin-2-yl-1,2,4-oxadiazole
CID 8814544
(2S)-2-[(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)methoxy]propanoic acid
CID 104875727
5-[[4-(4-methoxyphenyl)phenyl]methyl]-3-pyridin-2-yl-1,2,4-oxadiazole
CID 20967064
3-methyl-4-[(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)methylsulfanyl]aniline
CID 43302926
5-butyl-3-pyridin-2-yl-1,2,4-oxadiazole
CID 26772271
methyl 2-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)acetate
CID 79474815
2-[(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)methyl]cyclohexan-1-amine
CID 106483279

Frequently Asked Questions

What is the IUPAC name of 4-[(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)methoxy]aniline?
The IUPAC name of 4-[(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)methoxy]aniline (CID 61036474) is 4-[(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)methoxy]aniline.
What is the SMILES notation for 4-[(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)methoxy]aniline?
The canonical SMILES for 4-[(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)methoxy]aniline is Nc1ccc(OCc2nc(-c3ccccn3)no2)cc1.
What is the InChIKey of 4-[(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)methoxy]aniline?
The InChIKey is ITCVODUKQSOYFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N4O2/c15-10-4-6-11(7-5-10)19-9-13-17-14(18-20-13)12-3-1-2-8-16-12/h1-8H,9,15H2.
What are the key properties of 4-[(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)methoxy]aniline?
4-[(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)methoxy]aniline has a molecular weight of 268.28 g/mol, XLogP of 2.29, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)methoxy]aniline is sourced from PubChem (CID 61036474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).